5IOS
Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.071, 116.217, 141.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.680 - 1.900 |
R-factor | 0.17962 |
Rwork | 0.178 |
R-free | 0.21062 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gt9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.483 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 89.680 |
High resolution limit [Å] | 1.900 |
Number of reflections | 70476 |
<I/σ(I)> | 22.9 |
Completeness [%] | 99.5 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293.15 | 40-50% PEG 200, 0-150 mM NaCl, 100 mM Tris-HCl pH 8.0 |